5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C20H14ClF3N4O — CID 138567780

IUPAC5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNC(c1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H14ClF3N4O/c21-14-9-15-18(28-19(29)26-15)27-16(14)12-5-1-10(2-6-12)11-3-7-13(8-4-11)17(25)20(22,23)24/h1-9,17H,25H2,(H2,26,27,28,29)
InChIKeyNNAGNWKESZAEDK-UHFFFAOYSA-N
MW418.81 g/mol
LogP4.80
Rot. Bonds3

About 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 138567780) has the molecular formula C20H14ClF3N4O and a molecular weight of 418.81 g/mol. Its IUPAC name is 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID138567780
Molecular FormulaC20H14ClF3N4O
Molecular Weight418.81 g/mol
Exact Mass418.08
IUPAC Name5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNC(c1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H14ClF3N4O/c21-14-9-15-18(28-19(29)26-15)27-16(14)12-5-1-10(2-6-12)11-3-7-13(8-4-11)17(25)20(22,23)24/h1-9,17H,25H2,(H2,26,27,28,29)
InChIKeyNNAGNWKESZAEDK-UHFFFAOYSA-N
XLogP4.80
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[4-(2-fluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567693
2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate
CID 138493993
6-chloro-5-[4-[6-(tetrazol-1-yl)-3-pyridinyl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 137051623
6-chloro-5-[4-[4-(2-methylpropylsulfonyl)piperazin-1-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567655
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 144579589
6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138741475
aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)
CID 175810779
4-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]butanoic acid;oxan-2-ylmethanol
CID 144579612
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 138567780) is 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one is NC(c1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)C(F)(F)F.
What is the InChIKey of 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is NNAGNWKESZAEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O/c21-14-9-15-18(28-19(29)26-15)27-16(14)12-5-1-10(2-6-12)11-3-7-13(8-4-11)17(25)20(22,23)24/h1-9,17H,25H2,(H2,26,27,28,29).
What are the key properties of 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 418.81 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).